# generated using pymatgen data_Mg5Si6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.06740000 _cell_length_b 6.79879800 _cell_length_c 14.72671463 _cell_angle_alpha 88.57873420 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg5Si6 _chemical_formula_sum 'Mg10 Si12' _cell_volume 407.11889920 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1.0 Mg Mg1 1 0.00000000 0.50000000 0.50000000 1.0 Mg Mg2 1 0.50000000 0.32855300 0.64496700 1.0 Mg Mg3 1 0.50000000 0.67144700 0.35503300 1.0 Mg Mg4 1 0.50000000 0.68336700 0.05623000 1.0 Mg Mg5 1 0.50000000 0.31663300 0.94377000 1.0 Mg Mg6 1 0.50000000 0.80716600 0.57630600 1.0 Mg Mg7 1 0.50000000 0.19283400 0.42369400 1.0 Mg Mg8 1 0.50000000 0.31245200 0.19093500 1.0 Mg Mg9 1 0.50000000 0.68754800 0.80906500 1.0 Si Si10 1 0.00000000 0.38512100 0.06475800 1.0 Si Si11 1 0.00000000 0.61487900 0.93524200 1.0 Si Si12 1 0.00000000 0.89052500 0.43653500 1.0 Si Si13 1 0.00000000 0.10947500 0.56346500 1.0 Si Si14 1 0.50000000 0.08916600 0.79761100 1.0 Si Si15 1 0.50000000 0.91083400 0.20238900 1.0 Si Si16 1 0.00000000 0.39342900 0.31784000 1.0 Si Si17 1 0.00000000 0.60657100 0.68216000 1.0 Si Si18 1 0.00000000 0.36861700 0.80618600 1.0 Si Si19 1 0.00000000 0.63138300 0.19381400 1.0 Si Si20 1 0.00000000 0.04270600 0.28093400 1.0 Si Si21 1 0.00000000 0.95729400 0.71906600 1.0